2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

C39H25N3O — CID 170927351

IUPAC2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1ccc2oc3cccc(-c4ccc(-c5nc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])nc(-c6c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c6[2H])n5)cc4)c3c2c1
InChIInChI=1S/C39H25N3O/c1-3-10-26(11-4-1)27-18-22-30(23-19-27)38-40-37(29-12-5-2-6-13-29)41-39(42-38)31-24-20-28(21-25-31)32-15-9-17-35-36(32)33-14-7-8-16-34(33)43-35/h1-25H/i1D,2D,3D,4D,5D,6D,7D,10D,11D,12D,13D,18D,19D,22D,23D
InChIKeyGAYHYNJOPSMGTR-LSUIAXBFSA-N
MW566.74 g/mol
LogP10.11
Rot. Bonds5

About 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (PubChem CID 170927351) has the molecular formula C39H25N3O and a molecular weight of 566.74 g/mol. Its IUPAC name is 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
PubChem CID170927351
Molecular FormulaC39H25N3O
Molecular Weight566.74 g/mol
Exact Mass566.29
IUPAC Name2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1ccc2oc3cccc(-c4ccc(-c5nc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])nc(-c6c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c6[2H])n5)cc4)c3c2c1
InChIInChI=1S/C39H25N3O/c1-3-10-26(11-4-1)27-18-22-30(23-19-27)38-40-37(29-12-5-2-6-13-29)41-39(42-38)31-24-20-28(21-25-31)32-15-9-17-35-36(32)33-14-7-8-16-34(33)43-35/h1-25H/i1D,2D,3D,4D,5D,6D,7D,10D,11D,12D,13D,18D,19D,22D,23D
InChIKeyGAYHYNJOPSMGTR-LSUIAXBFSA-N
XLogP10.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.74
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-(4-dibenzofuran-1-ylphenyl)-4-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 176767408
2-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168770160
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 168769768
2,4-bis(4-phenylphenyl)-6-[9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797899
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168769693
2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171457215
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164798089
[4-[4-dibenzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166569930
2-[9-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797878
2-dibenzofuran-4-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170941804
2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 168731930
2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 168770189

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (CID 170927351) is 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is [2H]c1ccc2oc3cccc(-c4ccc(-c5nc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])nc(-c6c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c([2H])c6[2H])n5)cc4)c3c2c1.
What is the InChIKey of 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The InChIKey is GAYHYNJOPSMGTR-LSUIAXBFSA-N. The full InChI is InChI=1S/C39H25N3O/c1-3-10-26(11-4-1)27-18-22-30(23-19-27)38-40-37(29-12-5-2-6-13-29)41-39(42-38)31-24-20-28(21-25-31)32-15-9-17-35-36(32)33-14-7-8-16-34(33)43-35/h1-25H/i1D,2D,3D,4D,5D,6D,7D,10D,11D,12D,13D,18D,19D,22D,23D.
What are the key properties of 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine has a molecular weight of 566.74 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-deuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170927351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).